Information card for entry 2011631

Structure parameters

• Formula: C11 H13 N3 O4
• Calculated formula: C11 H13 N3 O4
• SMILES: n1(c(=O)nc(N)cc1)C1=C[C@@H](OC1)COC(=O)C
• Title of publication: A dideoxydidehydronucleoside derivative
• Authors of publication: Swenson, Dale C.; Nair, Vasu; Bera, Sanjib
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 12
• Pages of publication: e600 - e601
• a: 15.995 ± 0.002 Å
• b: 6.865 ± 0.001 Å
• c: 21.934 ± 0.005 Å
• α: 90°
• β: 94.16 ± 0.02°
• γ: 90°
• Cell volume: 2402.1 ± 0.7 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes